SCHEMBL8555545

SCHEMBL8555545

COC(=O)CCCc1cn(C)c2cc(C(=O)O)ccc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 4/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2504591 0.81 KDM4E (0.67) KDM4EHPGDHSD17B10LMNAMAPT
SCHEMBL15322300 0.77 SPR (0.53) KDM4EHPGDHSD17B10LMNAMAPT
SCHEMBL2804273 0.76 NR4A2 (0.45) KDM4ELMNAMEN1KMT2A
SCHEMBL2804408 0.75 PLA2G4A (0.46) KDM4ELMNAMEN1KMT2A
SCHEMBL8529581 0.74 CPT1A (0.49) KDM4E
SCHEMBL1495901 0.74 EPHX2 (0.45) KDM4EHPGDHSD17B10LMNAMAPT
SCHEMBL3352657 0.73 HPGD (0.49) KDM4EHPGDHSD17B10HDAC3HDAC1
SCHEMBL913166 0.73 SLC22A12 (0.49) KDM4EHPGDHDAC1HDAC6ALDH1A1
SCHEMBL1224223 0.72 TP53 (0.60) KDM4EHPGDHSD17B10LMNATP53
SCHEMBL2974692 0.72 HCAR3 (0.53) HPGDLMNAMAPTALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820441-A1 INDOLE DERIVATIVES AS cGMP-PDE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-01-28 EP disclosed